A group center overlap based approach for "3D QSAR" studies on TIBO derivatives

Journal of Computational Chemistry

Volumn 30, Issue 6, 2009, Pages 922-933

  Sapre, Nitin S ^a   Gupta, Swagata ^b   Pancholi, Nilanjana ^a   Sapre, Neelima ^c  

^a SHRI G S INSTITUTE OF TECHNOLOGY AND SCIENCE   (India)

^b Govt PG College   (India)

^c SD Bansal College of Technology   (India)

Author keywords

Artificial neural network (ANN); HIV 1 reverse transcriptase (HIV RT); Multiple linear regression (MLR); Non nucleoside reverse transcriptase inhibitor (NNRTI); PIC50; Quantitative structure activity relationship (QSAR); TIBO

Indexed keywords

ARTIFICIAL NEURAL NETWORK (ANN); HIV-1 REVERSE TRANSCRIPTASE (HIV RT); MULTIPLE LINEAR REGRESSION (MLR); NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITOR (NNRTI); PIC50; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP (QSAR); TIBO;

ALIGNMENT; BACKPROPAGATION; BIOMOLECULES; DIGITAL LIBRARIES; ENZYME INHIBITION; LEAD COMPOUNDS; MOLECULAR GRAPHICS; NEURAL NETWORKS; REGRESSION ANALYSIS; SIGNAL INTERFERENCE; SULFUR COMPOUNDS;

THREE DIMENSIONAL;

4,5,6,7 TETRAHYDROIMIDAZO (4,5,1 JK)(1,4)BENZODIAZEPIN 2 (1 H) ONE; 4,5,6,7-TETRAHYDROIMIDAZO-(4,5,1- JK)(1,4)BENZODIAZEPIN-2 (1 H)-ONE; BENZODIAZEPINE DERIVATIVE; IMIDAZOLE DERIVATIVE; REVERSE TRANSCRIPTASE, HUMAN IMMUNODEFICIENCY VIRUS 1; RNA DIRECTED DNA POLYMERASE; RNA DIRECTED DNA POLYMERASE INHIBITOR;

ARTICLE; ARTIFICIAL NEURAL NETWORK; BIOLOGICAL MODEL; CHEMISTRY; COMPARATIVE STUDY; COMPUTER SIMULATION; DRUG ANTAGONISM; DRUG DESIGN; HUMAN; METABOLISM; MOLECULAR LIBRARY; PROTEIN BINDING; PROTEIN DATABASE; QUANTITATIVE STRUCTURE ACTIVITY RELATION; STATISTICAL MODEL; VALIDATION STUDY;

BENZODIAZEPINES; COMPUTER SIMULATION; DATABASES, PROTEIN; DRUG DESIGN; HIV REVERSE TRANSCRIPTASE; HUMANS; IMIDAZOLES; LINEAR MODELS; MODELS, BIOLOGICAL; NEURAL NETWORKS (COMPUTER); PROTEIN BINDING; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP; REVERSE TRANSCRIPTASE INHIBITORS; SMALL MOLECULE LIBRARIES;

EID: 65449169234     PISSN: 01928651     EISSN: 1096987X     Source Type: Journal    
DOI: 10.1002/jcc.21114     Document Type: Article

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